Detailed information for compound 1403642

Basic information

Technical information
  • TDR Targets ID: 1403642
  • Name: 3-hydroxy-1-methyl-3-[2-oxo-2-(3-pyrrol-1-ylp henyl)ethyl]indol-2-one
  • MW: 346.379 | Formula: C21H18N2O3
  • H donors: 1 H acceptors: 3 LogP: 2.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(C)c2c(C1(O)CC(=O)c1cccc(c1)n1cccc1)cccc2
  • InChi: 1S/C21H18N2O3/c1-22-18-10-3-2-9-17(18)21(26,20(22)25)14-19(24)15-7-6-8-16(13-15)23-11-4-5-12-23/h2-13,26H,14H2,1H3
  • InChiKey: MFHVDJWVQFUXAH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-hydroxy-1-methyl-3-[2-oxo-2-(3-pyrrol-1-ylphenyl)ethyl]indolin-2-one
  • 3-hydroxy-1-methyl-3-[2-oxo-2-[3-(1-pyrrolyl)phenyl]ethyl]-2-indolinone
  • 3-hydroxy-3-[2-keto-2-(3-pyrrol-1-ylphenyl)ethyl]-1-methyl-oxindole
  • 3-hydroxy-1-methyl-3-{2-oxo-2-[3-(1H-pyrrol-1-yl)phenyl]ethyl}-1,3-dihydro-2H-indol-2-one
  • MLS000050155
  • SMR000077262
  • A3568/0151381

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0369 0.0369
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0369 0.1156
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0369 0.0369
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0369 0.1156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2833 0.8871
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.3194 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0369 0.0369
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0369 0.0369
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0369 0.0369
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.3194 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0369 0.0369
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0369 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.004 0.0124
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0369 0.1156
Trypanosoma brucei protein kinase, putative 0.0062 0.3194 0.5
Brugia malayi nuclear hormone receptor 0.0012 0.0369 0.0369
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2833 0.2833
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.004 0.004
Brugia malayi nuclear receptor NHR-88 0.0012 0.0369 0.0369
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0369 0.0369
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.3194 0.3194
Brugia malayi nuclear receptor RXR 0.0006 0.004 0.004
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.004 0.004
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2833 0.2833
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0369 0.0369
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0369 0.0369
Loa Loa (eye worm) hypothetical protein 0.0012 0.0369 0.0369
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0369 0.0369
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0369 0.0369
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.3194 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0369 0.0369
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0369 0.0369
Schistosoma mansoni coup transcription factor 0.0012 0.0369 0.1156
Loa Loa (eye worm) hypothetical protein 0.0006 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0006 0.004 0.004
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0369 0.1156
Brugia malayi hypothetical protein 0.0006 0.004 0.004
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0369 0.1156
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0369 0.1156
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0369 0.0369
Loa Loa (eye worm) hypothetical protein 0.0012 0.0369 0.0369
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0369 0.0369
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.3194 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.3194 0.3194
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.3194 0.3194
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2833 0.2833
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0369 0.0369
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.004 0.004
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0369 0.0369
Loa Loa (eye worm) hypothetical protein 0.0012 0.0369 0.0369
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0369 0.0369
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0369 0.0369
Brugia malayi ecdysteroid receptor 0.0012 0.0369 0.0369
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0369 0.0369
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0369 0.0369
Loa Loa (eye worm) hypothetical protein 0.0006 0.004 0.004
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3194 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2833 0.2833
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0006 0.004 0.004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0369 0.0369
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0369 0.0369
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0369 0.0369
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0369 0.0369
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3194 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0369 0.0369
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0369 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0369 0.0369
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2833 0.2833
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0369 0.1156
Loa Loa (eye worm) hypothetical protein 0.0012 0.0369 0.0369
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0369 0.0369
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0369 0.0369
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0369 0.0369
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3194 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0369 0.0369
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0369 0.1156
Loa Loa (eye worm) hypothetical protein 0.0012 0.0369 0.0369
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.3194 0.3194
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.3194 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0369 0.0369
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0369 0.1156
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0369 0.0369
Brugia malayi steroid hormone receptor 0.0012 0.0369 0.0369
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0369 0.0369
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0369 0.0369
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3194 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0369 0.0369
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.004 0.0124
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0369 0.1156
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.3194 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.004 0.004
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0369 0.0369
Brugia malayi hypothetical protein 0.0006 0.004 0.004
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0369 0.1156
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.3194 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0369 0.0369
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0369 0.1156
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2833 0.2833
Loa Loa (eye worm) hypothetical protein 0.0006 0.004 0.004
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0369 0.0369
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0369 0.0369
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0369 0.0369
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0369 0.0369
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0369 0.0369
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.3194 0.3194
Onchocerca volvulus 0.0012 0.0369 1
Brugia malayi MAP kinase sur-1 0.0062 0.3194 0.3194
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0369 0.0369
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0369 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0369 0.0369
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.3194 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3194 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2833 0.8871
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3194 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2833 0.8871

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 40 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim10-1 yeast via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463190, AID463194, AID504542, AID504544] ChEMBL. No reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 2.2387 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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